N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C14H17N3O2S — CID 20890135

IUPACN-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC1CC1
InChIInChI=1S/C14H17N3O2S/c1-8-5-9(2)15-14-13(8)17(12(19)7-20-14)6-11(18)16-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyVZQDPFLDNBHJGK-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.42
Rot. Bonds3

About N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 20890135) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID20890135
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC1CC1
InChIInChI=1S/C14H17N3O2S/c1-8-5-9(2)15-14-13(8)17(12(19)7-20-14)6-11(18)16-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyVZQDPFLDNBHJGK-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 20890135) is N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is VZQDPFLDNBHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-5-9(2)15-14-13(8)17(12(19)7-20-14)6-11(18)16-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 20890135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).